Molecular Properties | |
SMILES: | CCN1CCOC(CNC(=O)c2cncnc2)C1c1ccnn1C |
MW: | 330.18 |
Fraction sp3: | 0.5 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 85.17 |
cLogP: | 0.4 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-e82e6c98-3
0.714
MAR-TRE-e82e6c98-62
0.711
MAR-TRE-be9ff7d2-24
0.607
MAR-TRE-c317dd82-51
0.590
MAR-TRE-be9ff7d2-33
0.528
MAR-TRE-e82e6c98-10
0.518
MAR-TRE-c317dd82-60
0.500
MAR-TRE-be9ff7d2-96
0.489
MAR-TRE-be9ff7d2-80
0.441
MAR-TRE-be9ff7d2-100
0.436
MAR-TRE-e82e6c98-37
0.429
MAR-TRE-c317dd82-64
0.389
MAR-TRE-be9ff7d2-47
0.349
MAR-TRE-e82e6c98-82
0.347
MAR-TRE-e82e6c98-5
0.344
MAR-TRE-8190bb11-46
0.344
MAR-TRE-a9136c7b-83
0.343
MAR-TRE-c317dd82-50
0.340
MAR-TRE-e82e6c98-84
0.340
MAR-TRE-c317dd82-29
0.340
MAR-TRE-e82e6c98-49
0.337
MAR-TRE-be9ff7d2-14
0.333
MAR-TRE-be9ff7d2-77
0.333
MAR-TRE-e82e6c98-61
0.333
MAR-TRE-e82e6c98-26
0.333
MAR-TRE-c317dd82-92
0.333
MAR-TRE-c317dd82-5
0.330
MAR-TRE-66ac689e-26
0.330
MAR-TRE-e82e6c98-36
0.326
MAR-TRE-e82e6c98-56
0.326
MAR-TRE-e82e6c98-71
0.326
MAR-TRE-e82e6c98-30
0.326
MAR-TRE-be9ff7d2-51
0.323
MAR-TRE-c317dd82-6
0.323
MAR-TRE-e82e6c98-48
0.322
MAR-TRE-e82e6c98-47
0.322
MAR-TRE-be9ff7d2-99
0.320
MAR-TRE-c317dd82-4
0.319
MAR-TRE-be9ff7d2-95
0.316
MAR-TRE-799db12b-8
0.316
MAR-TRE-c317dd82-81
0.316
MAR-TRE-be9ff7d2-92
0.316
MAR-TRE-e82e6c98-2
0.316
MAR-TRE-799db12b-7
0.316
MAR-TRE-be9ff7d2-46
0.312
MAR-TRE-e82e6c98-40
0.312
MAR-TRE-c317dd82-34
0.312
MAR-TRE-c317dd82-40
0.312
MAR-TRE-a9136c7b-85
0.310
MAR-TRE-a9136c7b-7
0.310
MAR-TRE-c317dd82-33
0.309
MAR-TRE-c317dd82-25
0.309
MAR-TRE-4f781e27-48
0.309
MAR-TRE-be9ff7d2-97
0.309
MAR-TRE-e82e6c98-60
0.309
MAR-TRE-4f781e27-92
0.309
MAR-TRE-be9ff7d2-52
0.307
MAR-TRE-8190bb11-9
0.307
MAR-TRE-8190bb11-13
0.307
MAR-TRE-799db12b-67
0.306
MAR-TRE-799db12b-18
0.304
MAR-TRE-c317dd82-12
0.303
MAR-TRE-c317dd82-85
0.303
MAR-TRE-799db12b-11
0.303
MAR-TRE-799db12b-52
0.302
MAR-TRE-be9ff7d2-81
0.302
MAR-TRE-c317dd82-37
0.302
MAR-TRE-66ac689e-67
0.302
MAR-TRE-4f781e27-88
0.302
MAR-TRE-c317dd82-20
0.302
MAR-TRE-8190bb11-81
0.301
MAR-TRE-799db12b-21
0.300
MAR-TRE-66ac689e-54
0.300
MAR-TRE-799db12b-35
0.300
MAR-TRE-799db12b-64
0.300
MAR-TRE-8190bb11-96
0.300
MAR-TRE-4f781e27-99
0.300
MAR-TRE-be9ff7d2-60
0.299
MAR-TRE-be9ff7d2-55
0.299
MAR-TRE-8190bb11-24
0.299
MAR-TRE-8190bb11-85
0.299
MAR-TRE-c317dd82-32
0.298
MAR-TRE-8190bb11-2
0.298
MAR-TRE-be9ff7d2-32
0.298
MAR-TRE-e82e6c98-34
0.298
MAR-TRE-8190bb11-33
0.298
MAR-TRE-4f781e27-76
0.298
MAR-TRE-e82e6c98-42
0.297
MAR-TRE-799db12b-6
0.297
MAR-TRE-e82e6c98-96
0.297
MAR-TRE-c317dd82-73
0.297
MAR-TRE-e82e6c98-83
0.297
MAR-TRE-e82e6c98-6
0.296
MAR-TRE-799db12b-72
0.296
MAR-TRE-c317dd82-49
0.295
MAR-TRE-66ac689e-20
0.295
MAR-TRE-c317dd82-55
0.293
MAR-TRE-e82e6c98-22
0.293
MAR-TRE-be9ff7d2-16
0.293
MAR-TRE-4f781e27-67
0.293